![YY5 YY5](https://data.pdbj.org/pdbjplus/data/cc/svg/YY5.svg) | YY5 | 表記: | 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-[(propan-2-yl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one | 組成式: | C27 H35 Cl2 N7 O4 | SMILES: | COc1cc(OC)c(Cl)c(c1Cl)N2C(N(c3c(C2)cnc(NC(C)C)n3)C4CCN(C4)C([C@H]=CCN(C)C)=O)=O | InChi: | InChI=1S/C27H35Cl2N7O4/c1-16(2)31-26-30-13-17-14-35(24-22(28)19(39-5)12-20(40-6)23(24)29)27(38)36(25(17)32-26)18-9-11-34(15-18)21(37)8-7-10-33(3)4/h7-8,12-13,16,18H,9-11,14-15H2,1-6H3,(H,30,31,32)/b8-7+/t18-/m0/s1 | 定義日: | 2017-02-03 | 最終更新日: | 2019-01-11 | 公開日: | 2019-01-16 | 識別子(ID): | 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-[(propan-2-yl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one |
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![YY6 YY6](https://data.pdbj.org/pdbjplus/data/cc/svg/YY6.svg) | YY6 | 表記: | 7-(cyclohexylamino)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one | 組成式: | C30 H39 Cl2 N7 O4 | SMILES: | COc1cc(OC)c(Cl)c(c1Cl)N4Cc3cnc(NC2CCCCC2)nc3N(C4=O)C5CCN(C5)C([C@H]=CCN(C)C)=O | InChi: | InChI=1S/C30H39Cl2N7O4/c1-36(2)13-8-11-24(40)37-14-12-21(18-37)39-28-19(16-33-29(35-28)34-20-9-6-5-7-10-20)17-38(30(39)41)27-25(31)22(42-3)15-23(43-4)26(27)32/h8,11,15-16,20-21H,5-7,9-10,12-14,17-18H2,1-4H3,(H,33,34,35)/b11-8+/t21-/m0/s1 | 定義日: | 2017-02-03 | 最終更新日: | 2019-01-11 | 公開日: | 2019-01-16 | 識別子(ID): | 7-(cyclohexylamino)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one |
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![YY7 YY7](https://data.pdbj.org/pdbjplus/data/cc/svg/YY7.svg) | YY7 | 表記: | 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-(methylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one | 組成式: | C25 H31 Cl2 N7 O4 | SMILES: | COc1c(Cl)c(c(c(c1)OC)Cl)N2C(N(c3c(C2)cnc(NC)n3)C4CCN(C4)C([C@H]=CCN(C)C)=O)=O | InChi: | InChI=1S/C25H31Cl2N7O4/c1-28-24-29-12-15-13-33(22-20(26)17(37-4)11-18(38-5)21(22)27)25(36)34(23(15)30-24)16-8-10-32(14-16)19(35)7-6-9-31(2)3/h6-7,11-12,16H,8-10,13-14H2,1-5H3,(H,28,29,30)/b7-6+/t16-/m0/s1 | 定義日: | 2017-02-03 | 最終更新日: | 2019-01-11 | 公開日: | 2019-01-16 | 識別子(ID): | 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-(methylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one |
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![GAW GAW](https://data.pdbj.org/pdbjplus/data/cc/svg/GAW.svg) | GAW | 表記: | 2-[3,5-bis(trifluoromethyl)phenyl]-~{N},2-dimethyl-~{N}-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-yl]propanamide | 組成式: | C30 H32 F6 N4 O | SMILES: | CN1CCN(CC1)c2cc(c(cn2)N(C)C(=O)C(C)(C)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)c4ccccc4C | InChi: | InChI=1S/C30H32F6N4O/c1-19-8-6-7-9-23(19)24-17-26(40-12-10-38(4)11-13-40)37-18-25(24)39(5)27(41)28(2,3)20-14-21(29(31,32)33)16-22(15-20)30(34,35)36/h6-9,14-18H,10-13H2,1-5H3 | 定義日: | 2018-09-11 | 最終更新日: | 2019-01-11 | 公開日: | 2019-01-16 | 識別子(ID): | 2-[3,5-bis(trifluoromethyl)phenyl]-~{N},2-dimethyl-~{N}-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-yl]propanamide |
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![GBK GBK](https://data.pdbj.org/pdbjplus/data/cc/svg/GBK.svg) | GBK | 表記: | (2~{S},3~{S})-~{N}-[(2-methoxyphenyl)methyl]-2-phenyl-piperidin-3-amine | 組成式: | C19 H24 N2 O | SMILES: | COc1ccccc1CN[CH]2CCCN[CH]2c3ccccc3 | InChi: | InChI=1S/C19H24N2O/c1-22-18-12-6-5-10-16(18)14-21-17-11-7-13-20-19(17)15-8-3-2-4-9-15/h2-6,8-10,12,17,19-21H,7,11,13-14H2,1H3/t17-,19-/m0/s1 | 定義日: | 2018-09-11 | 最終更新日: | 2019-01-11 | 公開日: | 2019-01-16 | 識別子(ID): | (2~{S},3~{S})-~{N}-[(2-methoxyphenyl)methyl]-2-phenyl-piperidin-3-amine |
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![GBQ GBQ](https://data.pdbj.org/pdbjplus/data/cc/svg/GBQ.svg) | GBQ | 表記: | 5-[[(2~{R},3~{S})-2-[(1~{R})-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one | 組成式: | C23 H21 F7 N4 O3 | SMILES: | C[CH](O[CH]1OCCN(CC2=NC(=O)NN2)[CH]1c3ccc(F)cc3)c4cc(cc(c4)C(F)(F)F)C(F)(F)F | InChi: | InChI=1S/C23H21F7N4O3/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)37-20-19(13-2-4-17(24)5-3-13)34(6-7-36-20)11-18-31-21(35)33-32-18/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H2,31,32,33,35)/t12-,19+,20-/m1/s1 | 定義日: | 2018-09-11 | 最終更新日: | 2019-01-11 | 公開日: | 2019-01-16 | 識別子(ID): | 5-[[(2~{R},3~{S})-2-[(1~{R})-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one |
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![TZ0 TZ0](https://data.pdbj.org/pdbjplus/data/cc/svg/TZ0.svg) | TZ0 | 表記: | 1-[(3S)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]prop-2-en-1-one | 組成式: | C22 H22 N6 O3 | SMILES: | COc1cc(OC)cc(c1)C#Cc3c2c(ncnc2N)n(n3)C4CN(CC4)C([C@H]=C)=O | InChi: | InChI=1S/C22H22N6O3/c1-4-19(29)27-8-7-15(12-27)28-22-20(21(23)24-13-25-22)18(26-28)6-5-14-9-16(30-2)11-17(10-14)31-3/h4,9-11,13,15H,1,7-8,12H2,2-3H3,(H2,23,24,25)/t15-/m0/s1 | 定義日: | 2018-11-06 | 最終更新日: | 2019-01-11 | 公開日: | 2019-01-16 | 識別子(ID): | 1-[(3S)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]prop-2-en-1-one |
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![C8A C8A](https://data.pdbj.org/pdbjplus/data/cc/svg/C8A.svg) | C8A | 表記: | {[(4-benzylphenyl)amino]methylene}bis(phosphonic acid) | 組成式: | C14 H17 N O6 P2 | SMILES: | c2(Cc1ccccc1)ccc(NC(P(O)(O)=O)P(O)(=O)O)cc2 | InChi: | InChI=1S/C14H17NO6P2/c16-22(17,18)14(23(19,20)21)15-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9,14-15H,10H2,(H2,16,17,18)(H2,19,20,21) | 定義日: | 2017-09-18 | 最終更新日: | 2019-01-11 | 公開日: | 2019-01-16 | 識別子(ID): | {[(4-benzylphenyl)amino]methylene}bis(phosphonic acid) |
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![FFN FFN](https://data.pdbj.org/pdbjplus/data/cc/svg/FFN.svg) | FFN | 表記: | 5-(4-fluorophenyl)-2-methyl-3~{H}-thieno[2,3-d]pyrimidin-4-one | 組成式: | C13 H9 F N2 O S | SMILES: | CC1=Nc2scc(c3ccc(F)cc3)c2C(=O)N1 | InChi: | InChI=1S/C13H9FN2OS/c1-7-15-12(17)11-10(6-18-13(11)16-7)8-2-4-9(14)5-3-8/h2-6H,1H3,(H,15,16,17) | 定義日: | 2018-06-27 | 最終更新日: | 2019-01-11 | 公開日: | 2019-01-16 | 識別子(ID): | 5-(4-fluorophenyl)-2-methyl-3~{H}-thieno[2,3-d]pyrimidin-4-one |
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![FHJ FHJ](https://data.pdbj.org/pdbjplus/data/cc/svg/FHJ.svg) | FHJ | 表記: | dimethyl (1S,2S,3R,4R)-1-[(1S)-2-(4-methylphenyl)-1-(phenylamino)ethyl]-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate | 組成式: | C25 H27 N O5 | SMILES: | c1cc(ccc1)NC(C32C(C(=O)OC)C(C(O2)C=C3)C(=O)OC)Cc4ccc(cc4)C | InChi: | InChI=1S/C25H27NO5/c1-16-9-11-17(12-10-16)15-20(26-18-7-5-4-6-8-18)25-14-13-19(31-25)21(23(27)29-2)22(25)24(28)30-3/h4-14,19-22,26H,15H2,1-3H3/t19-,20+,21+,22-,25-/m1/s1 | 定義日: | 2018-04-02 | 最終更新日: | 2019-01-11 | 公開日: | 2019-01-16 | 識別子(ID): | dimethyl (1S,2S,3R,4R)-1-[(1S)-2-(4-methylphenyl)-1-(phenylamino)ethyl]-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate |
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![EGP EGP](https://data.pdbj.org/pdbjplus/data/cc/svg/EGP.svg) | EGP | 表記: | N-[2-(1H-indol-3-yl)ethyl]-N'-{3-[(4-methylpiperazin-1-yl)methyl]-1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-6-yl}thiourea | 組成式: | C31 H39 N7 O2 S | SMILES: | n2(cc(CN1CCN(C)CC1)c3ccc(cc23)NC(NCCc4cnc5ccccc45)=S)CC(=O)N6CCOCC6 | InChi: | InChI=1S/C31H39N7O2S/c1-35-10-12-36(13-11-35)20-24-21-38(22-30(39)37-14-16-40-17-15-37)29-18-25(6-7-27(24)29)34-31(41)32-9-8-23-19-33-28-5-3-2-4-26(23)28/h2-7,18-19,21,33H,8-17,20,22H2,1H3,(H2,32,34,41) | 定義日: | 2018-01-10 | 最終更新日: | 2019-01-11 | 公開日: | 2019-01-16 | 識別子(ID): | N-[2-(1H-indol-3-yl)ethyl]-N'-{3-[(4-methylpiperazin-1-yl)methyl]-1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-6-yl}thiourea |
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![EH1 EH1](https://data.pdbj.org/pdbjplus/data/cc/svg/EH1.svg) | EH1 | 表記: | 4-cyclohexylbenzoic acid | 組成式: | C13 H16 O2 | SMILES: | C1(CCCCC1)c2ccc(C(=O)O)cc2 | InChi: | InChI=1S/C13H16O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,14,15) | 定義日: | 2018-01-10 | 最終更新日: | 2019-01-11 | 公開日: | 2019-01-16 | 識別子(ID): | 4-cyclohexylbenzoic acid |
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![EHY EHY](https://data.pdbj.org/pdbjplus/data/cc/svg/EHY.svg) | EHY | 表記: | N-(2-phenylethyl)-N'-pyridin-3-ylthiourea | 組成式: | C14 H15 N3 S | SMILES: | c1ccc(cc1)CCNC(Nc2cccnc2)=S | InChi: | InChI=1S/C14H15N3S/c18-14(17-13-7-4-9-15-11-13)16-10-8-12-5-2-1-3-6-12/h1-7,9,11H,8,10H2,(H2,16,17,18) | 定義日: | 2018-01-11 | 最終更新日: | 2019-01-11 | 公開日: | 2019-01-16 | 識別子(ID): | N-(2-phenylethyl)-N'-pyridin-3-ylthiourea |
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![EJD EJD](https://data.pdbj.org/pdbjplus/data/cc/svg/EJD.svg) | EJD | 表記: | 4-(thiophen-3-yl)benzoic acid | 組成式: | C11 H8 O2 S | SMILES: | c1(ccsc1)c2ccc(C(O)=O)cc2 | InChi: | InChI=1S/C11H8O2S/c12-11(13)9-3-1-8(2-4-9)10-5-6-14-7-10/h1-7H,(H,12,13) | 定義日: | 2018-01-13 | 最終更新日: | 2019-01-11 | 公開日: | 2019-01-16 | 識別子(ID): | 4-(thiophen-3-yl)benzoic acid |
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![EJV EJV](https://data.pdbj.org/pdbjplus/data/cc/svg/EJV.svg) | EJV | 表記: | 4-heptylbenzoic acid | 組成式: | C14 H20 O2 | SMILES: | c1cc(ccc1C(O)=O)CCCCCCC | InChi: | InChI=1S/C14H20O2/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14(15)16/h8-11H,2-7H2,1H3,(H,15,16) | 定義日: | 2018-01-15 | 最終更新日: | 2019-01-11 | 公開日: | 2019-01-16 | 識別子(ID): | 4-heptylbenzoic acid |
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![EKV EKV](https://data.pdbj.org/pdbjplus/data/cc/svg/EKV.svg) | EKV | 表記: | N-[(3-{[dimethyl(2-methylphenyl)silyl]methoxy}phenyl)methyl]-N-ethyl-6-methoxy-6-methylhepta-2,4-diyn-1-amine | 組成式: | C28 H37 N O2 Si | SMILES: | CC(C#CC#CCN(Cc1cc(ccc1)OC[Si](c2ccccc2C)(C)C)CC)(OC)C | InChi: | InChI=1S/C28H37NO2Si/c1-8-29(20-13-9-12-19-28(3,4)30-5)22-25-16-14-17-26(21-25)31-23-32(6,7)27-18-11-10-15-24(27)2/h10-11,14-18,21H,8,20,22-23H2,1-7H3 | 定義日: | 2018-01-19 | 最終更新日: | 2019-01-11 | 公開日: | 2019-01-16 | 識別子(ID): | N-[(3-{[dimethyl(2-methylphenyl)silyl]methoxy}phenyl)methyl]-N-ethyl-6-methoxy-6-methylhepta-2,4-diyn-1-amine |
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![EMV EMV](https://data.pdbj.org/pdbjplus/data/cc/svg/EMV.svg) | EMV | 表記: | (2E)-N-({3-[([3,3'-bithiophen]-5-yl)methoxy]phenyl}methyl)-N-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine | 組成式: | C27 H31 N O S2 | SMILES: | c2c(c1cscc1)csc2COc3cccc(c3)CN(CC=CC#CC(C)(C)C)CC | InChi: | InChI=1S/C27H31NOS2/c1-5-28(14-8-6-7-13-27(2,3)4)18-22-10-9-11-25(16-22)29-19-26-17-24(21-31-26)23-12-15-30-20-23/h6,8-12,15-17,20-21H,5,14,18-19H2,1-4H3/b8-6+ | 定義日: | 2018-01-22 | 最終更新日: | 2019-01-11 | 公開日: | 2019-01-16 | 識別子(ID): | (2E)-N-({3-[([3,3'-bithiophen]-5-yl)methoxy]phenyl}methyl)-N-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine |
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![GBW GBW](https://data.pdbj.org/pdbjplus/data/cc/svg/GBW.svg) | GBW | 表記: | (2~{S},4~{S})-1-[(2~{S})-2-[2-[2-[2-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxidanylidene-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide | 組成式: | C50 H64 N8 O9 S | SMILES: | COc1cc(cc(OC)c1CN2CCN(CCOCCOCC(=O)NC(C(=O)N3CC(O)CC3C(=O)NCc4ccc(cc4)c5scnc5C)C(C)(C)C)CC2)C6=CN(C)C(=O)c7cnccc67 | InChi: | InChI=1S/C50H64N8O9S/c1-32-45(68-31-53-32)34-10-8-33(9-11-34)25-52-47(61)41-24-36(59)27-58(41)49(63)46(50(2,3)4)54-44(60)30-67-21-20-66-19-18-56-14-16-57(17-15-56)29-40-42(64-6)22-35(23-43(40)65-7)39-28-55(5)48(62)38-26-51-13-12-37(38)39/h8-13,22-23,26,28,31,36,41,46,59H,14-21,24-25,27,29-30H2,1-7H3,(H,52,61)(H,54,60) | 定義日: | 2018-09-11 | 最終更新日: | 2019-01-11 | 公開日: | 2019-01-16 | 識別子(ID): | (2~{S},4~{S})-1-[(2~{S})-2-[2-[2-[2-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxidanylidene-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide |
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![BKP BKP](https://data.pdbj.org/pdbjplus/data/cc/svg/BKP.svg) | BKP | 表記: | 5'-O-[(S)-hydroxy{[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]guanosine | 組成式: | C10 H17 N5 O17 P4 | SMILES: | P(O)(=O)(OP(O)(OP(O)(O)=O)=O)OP(OCC1OC(C(C1O)O)n2cnc3C(=O)N=C(N)Nc23)(O)=O | InChi: | InChI=1S/C10H17N5O17P4/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(29-9)1-28-34(22,23)31-36(26,27)32-35(24,25)30-33(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H,26,27)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 | 定義日: | 2017-08-14 | 最終更新日: | 2019-01-11 | 公開日: | 2019-01-16 | 識別子(ID): | 5'-O-[(S)-hydroxy{[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]guanosine |
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![BWJ BWJ](https://data.pdbj.org/pdbjplus/data/cc/svg/BWJ.svg) | BWJ | 表記: | {[(3,5-dichlorophenyl)amino]methylene}bis(phosphonic acid) | 組成式: | C7 H9 Cl2 N O6 P2 | SMILES: | c1c(Cl)cc(NC(P(O)(O)=O)P(O)(=O)O)cc1Cl | InChi: | InChI=1S/C7H9Cl2NO6P2/c8-4-1-5(9)3-6(2-4)10-7(17(11,12)13)18(14,15)16/h1-3,7,10H,(H2,11,12,13)(H2,14,15,16) | 定義日: | 2017-08-30 | 最終更新日: | 2019-01-11 | 公開日: | 2019-01-16 | 識別子(ID): | {[(3,5-dichlorophenyl)amino]methylene}bis(phosphonic acid) |
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![KJD KJD](https://data.pdbj.org/pdbjplus/data/cc/svg/KJD.svg) | KJD | 表記: | 4-[6-amino-5-(3,5-difluoro-4-hydroxyphenyl)pyridin-3-yl]benzene-1-sulfonamide | 組成式: | C17 H13 F2 N3 O3 S | SMILES: | c1(cnc(N)c(c1)c2cc(F)c(c(c2)F)O)c3ccc(cc3)S(N)(=O)=O | InChi: | InChI=1S/C17H13F2N3O3S/c18-14-6-10(7-15(19)16(14)23)13-5-11(8-22-17(13)20)9-1-3-12(4-2-9)26(21,24)25/h1-8,23H,(H2,20,22)(H2,21,24,25) | 定義日: | 2018-12-14 | 最終更新日: | 2019-01-11 | 公開日: | 2019-01-16 | 識別子(ID): | 4-[6-amino-5-(3,5-difluoro-4-hydroxyphenyl)pyridin-3-yl]benzene-1-sulfonamide |
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![KJJ KJJ](https://data.pdbj.org/pdbjplus/data/cc/svg/KJJ.svg) | KJJ | 表記: | (2~{S})-2-[4-(8-fluoranyl-5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)-2-methyl-6-[[(1~{S},2~{R})-2-phenylcyclopropyl]methyl]-7,8-dihydro-5~{H}-1,6-naphthyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid | 組成式: | C35 H41 F N2 O4 | SMILES: | Cc1nc2CCN(C[CH]3C[CH]3c4ccccc4)Cc2c(c5cc(F)c6OCCCc6c5C)c1[CH](OC(C)(C)C)C(O)=O | InChi: | InChI=1S/C35H41FN2O4/c1-20-24-12-9-15-41-32(24)28(36)17-25(20)31-27-19-38(18-23-16-26(23)22-10-7-6-8-11-22)14-13-29(27)37-21(2)30(31)33(34(39)40)42-35(3,4)5/h6-8,10-11,17,23,26,33H,9,12-16,18-19H2,1-5H3,(H,39,40)/t23-,26+,33+/m1/s1 | 定義日: | 2018-12-14 | 最終更新日: | 2019-01-11 | 公開日: | 2019-01-16 | 識別子(ID): | (2~{S})-2-[4-(8-fluoranyl-5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)-2-methyl-6-[[(1~{S},2~{R})-2-phenylcyclopropyl]methyl]-7,8-dihydro-5~{H}-1,6-naphthyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid |
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![H3N H3N](https://data.pdbj.org/pdbjplus/data/cc/svg/H3N.svg) | H3N | 表記: | 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine | 組成式: | C23 H17 N3 O2 | SMILES: | Cn1cc(cn1)c2ccc3occ(c4cccc(Oc5ccccc5)c4)c3n2 | InChi: | InChI=1S/C23H17N3O2/c1-26-14-17(13-24-26)21-10-11-22-23(25-21)20(15-27-22)16-6-5-9-19(12-16)28-18-7-3-2-4-8-18/h2-15H,1H3 | 定義日: | 2018-11-14 | 最終更新日: | 2019-01-11 | 公開日: | 2019-01-16 | 識別子(ID): | 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine |
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![92U 92U](https://data.pdbj.org/pdbjplus/data/cc/svg/92U.svg) | 92U | 表記: | [1,3-diethyl-2,2-bis(oxidanylidene)-2$l^{6},1,3-benzothiadiazol-5-yl]-(1-methyl-5-oxidanyl-pyrazol-4-yl)methanone | 組成式: | C15 H18 N4 O4 S | SMILES: | CCN1c2ccc(cc2N(CC)[S]1(=O)=O)C(=O)c3cnn(C)c3O | InChi: | InChI=1S/C15H18N4O4S/c1-4-18-12-7-6-10(8-13(12)19(5-2)24(18,22)23)14(20)11-9-16-17(3)15(11)21/h6-9,21H,4-5H2,1-3H3 | 定義日: | 2017-12-07 | 最終更新日: | 2019-01-11 | 公開日: | 2019-01-16 | 識別子(ID): | [1,3-diethyl-2,2-bis(oxidanylidene)-2$l^{6},1,3-benzothiadiazol-5-yl]-(1-methyl-5-oxidanyl-pyrazol-4-yl)methanone |
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![92X 92X](https://data.pdbj.org/pdbjplus/data/cc/svg/92X.svg) | 92X | 表記: | 1,5-dimethyl-3-(2-methylphenyl)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione | 組成式: | C24 H22 N2 O5 | SMILES: | CN1C(=O)N(C(=O)c2c(C)c(ccc12)C(=O)C3=C(O)CCCC3=O)c4ccccc4C | InChi: | InChI=1S/C24H22N2O5/c1-13-7-4-5-8-16(13)26-23(30)20-14(2)15(11-12-17(20)25(3)24(26)31)22(29)21-18(27)9-6-10-19(21)28/h4-5,7-8,11-12,27H,6,9-10H2,1-3H3 | 定義日: | 2017-12-07 | 最終更新日: | 2019-01-11 | 公開日: | 2019-01-16 | 識別子(ID): | 1,5-dimethyl-3-(2-methylphenyl)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione |
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